Basic information
- Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1- InChIKey
NQSBMNUPJHCOCK-UHFFFAOYSA-N- Molecular formula
- C17H25ClN2O2
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1604557
Names & identifiers
- Preferred name
- 1-[4-Amino-5-chloro-2-methoxyphenyl]-5-(piperidin-1-yl)pentan-1-one
- IUPAC
- 1-(4-amino-5-chloro-2-methoxyphenyl)-5-piperidin-1-ylpentan-1-one
Names & synonyms
CHEMBL83841SCHEMBL7351188NQSBMNUPJHCOCK-UHFFFAOYSA-NBDBM50469673PDSP1_000075PDSP2_0000751-[4-amino-5-chloro-2-methoxyphen yl]-5-(piperidin-1-yl)pentan-1-one1-[4-amino-5-chloro-2-methoxyphenyl]-5-(piperidin-1-yl)pentan-1-one
Database identifiers
- PubChem CID
- 9799010
- ChEMBL
CHEMBL83841- Nikkaji
- J761.308C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 348
Related reactions
3 records
Linked notes
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